4-[2-(azetidin-1-yl)ethyl]thian-4-ol

C10H19NOS — CID 84733859

IUPAC4-[2-(azetidin-1-yl)ethyl]thian-4-ol
SMILESOC1(CCN2CCC2)CCSCC1
InChIInChI=1S/C10H19NOS/c12-10(3-8-13-9-4-10)2-7-11-5-1-6-11/h12H,1-9H2
InChIKeyATXLIVKHKWPYBN-UHFFFAOYSA-N
MW201.33 g/mol
LogP1.34
Rot. Bonds3

About 4-[2-(azetidin-1-yl)ethyl]thian-4-ol

4-[2-(azetidin-1-yl)ethyl]thian-4-ol (PubChem CID 84733859) has the molecular formula C10H19NOS and a molecular weight of 201.33 g/mol. Its IUPAC name is 4-[2-(azetidin-1-yl)ethyl]thian-4-ol.

Molecular Properties

Compound Name4-[2-(azetidin-1-yl)ethyl]thian-4-ol
PubChem CID84733859
Molecular FormulaC10H19NOS
Molecular Weight201.33 g/mol
Exact Mass201.12
IUPAC Name4-[2-(azetidin-1-yl)ethyl]thian-4-ol
SMILESOC1(CCN2CCC2)CCSCC1
InChIInChI=1S/C10H19NOS/c12-10(3-8-13-9-4-10)2-7-11-5-1-6-11/h12H,1-9H2
InChIKeyATXLIVKHKWPYBN-UHFFFAOYSA-N
XLogP1.34
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.33
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(azetidin-1-yl)ethyl]thian-4-ol?
The IUPAC name of 4-[2-(azetidin-1-yl)ethyl]thian-4-ol (CID 84733859) is 4-[2-(azetidin-1-yl)ethyl]thian-4-ol.
What is the SMILES notation for 4-[2-(azetidin-1-yl)ethyl]thian-4-ol?
The canonical SMILES for 4-[2-(azetidin-1-yl)ethyl]thian-4-ol is OC1(CCN2CCC2)CCSCC1.
What is the InChIKey of 4-[2-(azetidin-1-yl)ethyl]thian-4-ol?
The InChIKey is ATXLIVKHKWPYBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NOS/c12-10(3-8-13-9-4-10)2-7-11-5-1-6-11/h12H,1-9H2.
What are the key properties of 4-[2-(azetidin-1-yl)ethyl]thian-4-ol?
4-[2-(azetidin-1-yl)ethyl]thian-4-ol has a molecular weight of 201.33 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(azetidin-1-yl)ethyl]thian-4-ol is sourced from PubChem (CID 84733859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).